N-cyclopropyl-2-(4-fluorophenyl)-N-(thiophen-3-ylmethyl)acetamide

C16H16FNOS — CID 51055395

IUPACN-cyclopropyl-2-(4-fluorophenyl)-N-(thiophen-3-ylmethyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C16H16FNOS/c17-14-3-1-12(2-4-14)9-16(19)18(15-5-6-15)10-13-7-8-20-11-13/h1-4,7-8,11,15H,5-6,9-10H2
InChIKeyRNANQIXFFGEOCO-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.62
Rot. Bonds5

About N-cyclopropyl-2-(4-fluorophenyl)-N-(thiophen-3-ylmethyl)acetamide

N-cyclopropyl-2-(4-fluorophenyl)-N-(thiophen-3-ylmethyl)acetamide (PubChem CID 51055395) has the molecular formula C16H16FNOS and a molecular weight of 289.38 g/mol. Its IUPAC name is N-cyclopropyl-2-(4-fluorophenyl)-N-(thiophen-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(4-fluorophenyl)-N-(thiophen-3-ylmethyl)acetamide
PubChem CID51055395
Molecular FormulaC16H16FNOS
Molecular Weight289.38 g/mol
Exact Mass289.09
IUPAC NameN-cyclopropyl-2-(4-fluorophenyl)-N-(thiophen-3-ylmethyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C16H16FNOS/c17-14-3-1-12(2-4-14)9-16(19)18(15-5-6-15)10-13-7-8-20-11-13/h1-4,7-8,11,15H,5-6,9-10H2
InChIKeyRNANQIXFFGEOCO-UHFFFAOYSA-N
XLogP3.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 37484611
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CID 808451
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CID 2567966
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CID 2914787
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CID 8013080
CID 8013080
CID 896320
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CID 67512015
CID 67512015
CID 71449606
CID 71449606
CID 574008
CID 574008
CID 668925
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CID 1246492
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CID 2712605
CID 2712605

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(4-fluorophenyl)-N-(thiophen-3-ylmethyl)acetamide?
The IUPAC name of N-cyclopropyl-2-(4-fluorophenyl)-N-(thiophen-3-ylmethyl)acetamide (CID 51055395) is N-cyclopropyl-2-(4-fluorophenyl)-N-(thiophen-3-ylmethyl)acetamide.
What is the SMILES notation for N-cyclopropyl-2-(4-fluorophenyl)-N-(thiophen-3-ylmethyl)acetamide?
The canonical SMILES for N-cyclopropyl-2-(4-fluorophenyl)-N-(thiophen-3-ylmethyl)acetamide is O=C(Cc1ccc(F)cc1)N(Cc1ccsc1)C1CC1.
What is the InChIKey of N-cyclopropyl-2-(4-fluorophenyl)-N-(thiophen-3-ylmethyl)acetamide?
The InChIKey is RNANQIXFFGEOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNOS/c17-14-3-1-12(2-4-14)9-16(19)18(15-5-6-15)10-13-7-8-20-11-13/h1-4,7-8,11,15H,5-6,9-10H2.
What are the key properties of N-cyclopropyl-2-(4-fluorophenyl)-N-(thiophen-3-ylmethyl)acetamide?
N-cyclopropyl-2-(4-fluorophenyl)-N-(thiophen-3-ylmethyl)acetamide has a molecular weight of 289.38 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(4-fluorophenyl)-N-(thiophen-3-ylmethyl)acetamide is sourced from PubChem (CID 51055395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).